The structural and diffusion properties of Cu(001)-c(2x2)–Pd surface and sub-surface ordered alloys were studied by using interaction potentials obtained from the embedded-atom method. The calculated diffusion energies were in agreement with the observed kinetics of surface alloy formation, and confirmed the stability of the underlying alloy. The activation energy for the planar diffusion of Pd in the initial stages of alloy formation, as well as the activation energy of overlayer–underlayer diffusion of the Pd atoms, were in good agreement with those obtained by using scanning tunnelling microscopy and low-energy electron diffraction.

Diffusion Properties of Cu(001)-c(2×2)–Pd Surface Alloys. S.V.Eremeev, G.G.Rusina, E.V.Chulkov: Surface Science, 2007, 601[17], 3640-4